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montelukast 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
leukotriene receptor antagonists	1836	158966-92-8

Description:

Molecule	Description
Molfile Inchi Smiles Synonyms: montelukast montelukast sodium singulair	Montelukast is an orally active compound that binds with high affinity and selectivity to the CysLT1 receptor (in preference to other pharmacologically important airway receptors, such as the prostanoid, cholinergic, or beta-adrenergic receptor). Montelukast inhibits physiologic actions of cysteinyl leukotriene LTD4 at the CysLT1 receptor without any agonist activity. Molecular weight: 586.19 Formula: C35H36ClNO3S CLOGP: 8.33 LIPINSKI: 2 HAC: 4 HDO: 2 TPSA: 70.42 ALOGS: -7.85 ROTB: 12 Status: OFP Legend: OFP - off patent OFM - off market ONP - on patent

Molecule

Description

Molfile Inchi Smiles

Synonyms:

montelukast
montelukast sodium
singulair

Montelukast is an orally active compound that binds with high affinity and selectivity to the CysLT1 receptor (in preference to other pharmacologically important airway receptors, such as the prostanoid, cholinergic, or beta-adrenergic receptor). Montelukast inhibits physiologic actions of cysteinyl leukotriene LTD4 at the CysLT1 receptor without any agonist activity.

Molecular weight: 586.19
Formula: C35H36ClNO3S
CLOGP: 8.33
LIPINSKI: 2
HAC: 4
HDO: 2
TPSA: 70.42
ALOGS: -7.85
ROTB: 12

Status: OFP

Legend:
OFP - off patent
OFM - off market
ONP - on patent

Drug dosage:

Dose	Unit	Route
10	mg	O

ADMET properties:

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Property	Value	Reference
BA (Bioavailability)	62 %	Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H
t_half (Half-life)	5 hours	Lombardo F, Berellini G, Obach RS
BDDCS (Biopharmaceutical Drug Disposition Classification System)	2	Benet LZ, Broccatelli F, Oprea TI
CL (Clearance)	0.68 mL/min/kg	Lombardo F, Berellini G, Obach RS
MRTD (Maximum Recommended Therapeutic Daily Dose)	0.28 µM/kg/day	Contrera JF, Matthews EJ, Kruhlak NL, Benz RD
EoM (Fraction excreted unchanged in urine)	0.20 %	Benet LZ, Broccatelli F, Oprea TI
Vd (Volume of distribution)	0.15 L/kg	Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma)	0.00 %	Lombardo F, Berellini G, Obach RS

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Approvals:

Date	Agency	Company	Orphan
Feb. 20, 1998	FDA	MERCK

FDA Adverse Event Reporting System (Female)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Asthma	5205.44	10.20	3913	208958	123648	63152503
Wheezing	2171.69	10.20	2098	210773	93497	63182654
Eosinophilic granulomatosis with polyangiitis	1307.18	10.20	425	212446	1767	63274384
Obstructive airways disorder	988.16	10.20	700	212171	19999	63256152
Cough	935.30	10.20	2615	210256	290128	62986023
Dyspnoea	926.28	10.20	4516	208355	656797	62619354
Sleep disorder due to a general medical condition	726.60	10.20	473	212398	11715	63264436
Sputum discoloured	703.05	10.20	519	212352	15828	63260323
Full blood count abnormal	664.77	10.20	667	212204	31050	63245101
Productive cough	618.93	10.20	903	211968	62305	63213846

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FDA Adverse Event Reporting System (Male)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Asthma	3319.83	11.09	1743	81984	40913	34832291
Wheezing	1452.29	11.09	1016	82711	40386	34832818
Eosinophilic granulomatosis with polyangiitis	898.87	11.09	288	83439	1699	34871505
Obstructive airways disorder	825.74	11.09	495	83232	14999	34858205
Cough	556.12	11.09	1155	82572	148985	34724219
Full blood count abnormal	530.75	11.09	404	83323	18264	34854940
Forced expiratory volume decreased	450.28	11.09	197	83530	3006	34870198
Productive cough	416.99	11.09	483	83244	37330	34835874
Dyspnoea	399.09	11.09	1868	81859	374914	34498290
Abnormal behaviour	355.58	11.09	365	83362	24604	34848600

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FDA Adverse Event Reporting System (Geriatric)

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MedDRA adverse event term	Likelihood ratio	Likelihood ratio threshold	Patients taking drug having adverse event	Patients taking drug not having adverse event	Patients not taking drug having adverse event	Patients not taking drug not having adverse event
Asthma	6745.55	9.88	4482	233825	130613	79375468
Wheezing	3027.84	9.88	2622	235685	114042	79392039
Eosinophilic granulomatosis with polyangiitis	1830.55	9.88	604	237703	3056	79503025
Obstructive airways disorder	1586.97	9.88	1053	237254	30406	79475675
Cough	1287.74	9.88	3157	235150	363632	79142449
Dyspnoea	1067.30	9.88	5212	233095	851813	78654268
Full blood count abnormal	1064.89	9.88	918	237389	39556	79466525
Productive cough	955.18	9.88	1247	237060	87084	79418997
Forced expiratory volume decreased	908.06	9.88	451	237856	7363	79498718
Sputum discoloured	894.22	9.88	642	237665	21101	79484980

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FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

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Source	Code	Description
ATC	R03DC03	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Leukotriene receptor antagonists
ATC	R03DC53	RESPIRATORY SYSTEM DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES OTHER SYSTEMIC DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES Leukotriene receptor antagonists
CHEBI has role	CHEBI:38070	antiarrhythmic agent
CHEBI has role	CHEBI:49159	leukotriene antagonists
CHEBI has role	CHEBI:49167	anti-asthmatic drugs
FDA EPC	N0000175777	Leukotriene Receptor Antagonist
FDA MoA	N0000000083	Leukotriene Receptor Antagonists
MeSH PA	D018927	Anti-Asthmatic Agents
MeSH PA	D065694	Cytochrome P-450 CYP1A2 Inducers
MeSH PA	D006727	Hormone Antagonists

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Drug Use | Suggest Off label Use Form| |View source of the data|

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Disease	Relation	SNOMED_ID	DOID
Allergic rhinitis	indication	61582004
Non-allergic asthma	indication	266361008	DOID:9360
Allergic asthma	indication	389145006	DOID:9415
Asthma management	indication	406162001
Exercise-Induced Bronchospasm Prevention	indication
Suicidal thoughts	contraindication	6471006
Hallucinations	contraindication	7011001
Mood swings	contraindication	18963009
Feeling agitated	contraindication	24199005
Depressive disorder	contraindication	35489007

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🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation level	Dissociation constant	Type (acidic/basic)
pKa1	4.28	acidic
pKa2	4.98	Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

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Target	Class	Pharos	UniProt	Action	Type	Activity value (-log[M])	Bioact source	MoA source
Cysteinyl leukotriene receptor 1	GPCR	Q9Y271	CLTR1_HUMAN	ANTAGONIST	Ki	9.30	CHEMBL	CHEMBL
Alpha-2A adrenergic receptor	GPCR	P08913	ADA2A_HUMAN		Ki	5.83	DRUG MATRIX
Sodium-dependent noradrenaline transporter	Transporter	P23975	SC6A2_HUMAN		Ki	5.57	DRUG MATRIX
5-hydroxytryptamine receptor 2B	GPCR	P41595	5HT2B_HUMAN		Ki	5.40	DRUG MATRIX
D(3) dopamine receptor	GPCR	P35462	DRD3_HUMAN		Ki	5.58	DRUG MATRIX
Muscarinic acetylcholine receptor M1	GPCR	P11229	ACM1_HUMAN		Ki	5.71	DRUG MATRIX
Muscarinic acetylcholine receptor M3	GPCR	P20309	ACM3_HUMAN		Ki	5.85	DRUG MATRIX
Beta-3 adrenergic receptor	GPCR	P13945	ADRB3_HUMAN		Ki	5.50	DRUG MATRIX
Alpha-2C adrenergic receptor	GPCR	P18825	ADA2C_HUMAN		Ki	6.12	DRUG MATRIX
Sodium-dependent dopamine transporter	Transporter	Q01959	SC6A3_HUMAN		Ki	5.69	DRUG MATRIX

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External reference:

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ID	Source
MTK	PDB_CHEM_ID
007256	NDDF
007257	NDDF
108620002	SNOMEDCT_US
115713	RXNORM
11578	MMSL
151767-02-1	SECONDARY_CAS_RN
189710	MMSL
320883008	SNOMEDCT_US
3340	IUPHAR_LIGAND_ID

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Pharmaceutical products:

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Product	Category	Ingredients	NDC	Form	Quantity	Route	Marketing	Label
MONTELUKAST	HUMAN PRESCRIPTION DRUG LABEL	1	0143-9649	TABLET, FILM COATED	10 mg	ORAL	ANDA	25 sections
MONTELUKAST	HUMAN PRESCRIPTION DRUG LABEL	1	0143-9650	TABLET, CHEWABLE	5 mg	ORAL	ANDA	25 sections
MONTELUKAST	HUMAN PRESCRIPTION DRUG LABEL	1	0143-9651	TABLET, CHEWABLE	4 mg	ORAL	ANDA	25 sections
Montelukast	HUMAN PRESCRIPTION DRUG LABEL	1	0781-5554	TABLET, CHEWABLE	4 mg	ORAL	ANDA	28 sections
Montelukast	HUMAN PRESCRIPTION DRUG LABEL	1	0781-5555	TABLET, CHEWABLE	5 mg	ORAL	ANDA	28 sections
Montelukast	HUMAN PRESCRIPTION DRUG LABEL	1	0781-5560	TABLET, FILM COATED	10 mg	ORAL	ANDA	28 sections
Montelukast	HUMAN PRESCRIPTION DRUG LABEL	1	0904-6808	TABLET, FILM COATED	10 mg	ORAL	ANDA	28 sections
Montelukast Sodium	HUMAN PRESCRIPTION DRUG LABEL	1	0093-7487	GRANULE	4 mg	ORAL	ANDA	31 sections
Montelukast Sodium	HUMAN PRESCRIPTION DRUG LABEL	1	0093-7487	GRANULE	4 mg	ORAL	ANDA	31 sections
Montelukast Sodium	HUMAN PRESCRIPTION DRUG LABEL	1	13668-079	TABLET, CHEWABLE	4 mg	ORAL	ANDA	29 sections

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